4-chloranyl-2-phenylsulfanyl-aniline hydrate hydrochloride

Systemtic Name: 4-chloranyl-2-phenylsulfanyl-aniline hydrate hydrochloride Openeye Name: 4-chloro-2-phenylsulfanyl-aniline hydrate hydrochloride CAS Name: 4-chloro-2-(phenylthio)aniline hydrate hydrochloride IUPAC Name: 4-chloro-2-phenylsulfanylaniline hydrate hydrochloride Traditional Name: [4-chloro-2-(phenylthio)phenyl]amine hydrate hydrochloride Formula: C12H13Cl2NOS MolecularWeight: 290.20872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC(=C2)Cl)N.O.Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC(=C2)Cl)N.O.Cl

InChI

InChI=1S/C12H10ClNS.ClH.H2O/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10;;/h1-8H,14H2;1H;1H2